⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL13984101 | 1.00 | — | — | |
| SCHEMBL13568223 | 1.00 | — | — | |
| SCHEMBL17858238 | 1.00 | — | — | |
| SCHEMBL20171695 | 0.87 | — | — | |
| SCHEMBL13662466 | 0.76 | — | — | |
| SCHEMBL25571486 | 0.74 | — | — | |
| SCHEMBL4572344 | 0.72 | — | — | |
| SCHEMBL12536112 | 0.72 | — | — | |
| SCHEMBL18526058 | 0.72 | — | — | |
| SCHEMBL23655148 | 0.72 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170338425-A1 | ORGANIC SEMICONDUCTOR ELEMENT, MANUFACTURING METHOD THEREOF, COMPOSITION FOR FORMING ORGANIC SEMICONDUCTOR FILM, AND METHOD OF MANUFACTURING ORGANIC SEMICONDUCTOR FILM | THE UNIVERSITY OF TOKYO (JP) | 2017-11-23 | — | — | US | disclosed |